CID 4962234

[4-(piperidine-1-sulfonyl)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C12H18N2O2S/c13-10-11-4-6-12(7-5-11)17(15,16)14-8-2-1-3-9-14/h4-7H,1-3,8-10,13H2
InChIKey
BCDIURNDMMBMJT-UHFFFAOYSA-N
Compound name
(4-piperidin-1-ylsulfonylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

254.1089 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 156.2
[M+Na]+ 277.09812 161.7
[M-H]- 253.10162 160.3
[M+NH4]+ 272.14272 171.4
[M+K]+ 293.07206 157.6
[M+H-H2O]+ 237.10616 148.7
[M+HCOO]- 299.10710 170.2
[M+CH3COO]- 313.12275 191.7
[M+Na-2H]- 275.08357 159.0
[M]+ 254.10835 152.7
[M]- 254.10945 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe